5-ethenyl-1-methyl-1,2,4-triazole

C5H7N3 — CID 115011042

IUPAC5-ethenyl-1-methyl-1,2,4-triazole
SMILESC=Cc1ncnn1C
InChIInChI=1S/C5H7N3/c1-3-5-6-4-7-8(5)2/h3-4H,1H2,2H3
InChIKeySJAUJCQLRCYANB-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.46
Rot. Bonds1

About 5-ethenyl-1-methyl-1,2,4-triazole

5-ethenyl-1-methyl-1,2,4-triazole (PubChem CID 115011042) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-methyl-1,2,4-triazole
PubChem CID115011042
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name5-ethenyl-1-methyl-1,2,4-triazole
SMILESC=Cc1ncnn1C
InChIInChI=1S/C5H7N3/c1-3-5-6-4-7-8(5)2/h3-4H,1H2,2H3
InChIKeySJAUJCQLRCYANB-UHFFFAOYSA-N
XLogP0.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dimethyl-1,2,4-triazole
CID 307977
5-Ethenyl-1H-1,2,4-triazole
CID 19004185
5-(Difluoromethyl)-3-ethenyl-1-methyl-1,2,4-triazole
CID 169809302
5-Ethenyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 171542259
1-Ethenyl-3-methyl-1,2,4-triazole
CID 13739249
1-Ethenyl-5-methyl-1H-1,2,4-triazole
CID 13739250
1-Vinyl-1,2,4-triazole-acrylonitrile
CID 129880152
lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide
CID 134971062
1-(2-Fluoroprop-2-enyl)-5-methyl-1,2,4-triazole
CID 144028656
1,5-dimethyl-1H-1,2,4-triazole
CID 12217061
3-(2,2-Dichloroethenyl)-1-methyl-1,2,4-triazole
CID 20491092
1-Methyl-3-(1,2,2-tribromoethenyl)-1,2,4-triazole
CID 20491099

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-methyl-1,2,4-triazole (CID 115011042) is 5-ethenyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-methyl-1,2,4-triazole is C=Cc1ncnn1C.
What is the InChIKey of 5-ethenyl-1-methyl-1,2,4-triazole?
The InChIKey is SJAUJCQLRCYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-3-5-6-4-7-8(5)2/h3-4H,1H2,2H3.
What are the key properties of 5-ethenyl-1-methyl-1,2,4-triazole?
5-ethenyl-1-methyl-1,2,4-triazole has a molecular weight of 109.13 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 115011042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).